methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate

C9H20N2O5S — CID 114816329

IUPACmethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate
SMILESCOCCNS(=O)(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C9H20N2O5S/c1-8(9(12)16-4)7-11(2)17(13,14)10-5-6-15-3/h8,10H,5-7H2,1-4H3
InChIKeyDHADELIPHWGWKT-UHFFFAOYSA-N
MW268.33 g/mol
LogP-0.79
Rot. Bonds8

About methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate

methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate (PubChem CID 114816329) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate
PubChem CID114816329
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Namemethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate
SMILESCOCCNS(=O)(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C9H20N2O5S/c1-8(9(12)16-4)7-11(2)17(13,14)10-5-6-15-3/h8,10H,5-7H2,1-4H3
InChIKeyDHADELIPHWGWKT-UHFFFAOYSA-N
XLogP-0.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114816735
2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114815632
2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate
CID 79282082
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
methyl 3-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-2-methylpropanoate
CID 79586368
2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 114814539
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 54944904
methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate
CID 61254382
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
CID 54989932

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate (CID 114816329) is methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate is COCCNS(=O)(=O)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate?
The InChIKey is DHADELIPHWGWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S/c1-8(9(12)16-4)7-11(2)17(13,14)10-5-6-15-3/h8,10H,5-7H2,1-4H3.
What are the key properties of methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate?
methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate has a molecular weight of 268.33 g/mol, XLogP of -0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 114816329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).